MassBank Record: MSBNK-Washington_State_Univ-BML00331
ACCESSION: MSBNK-Washington_State_Univ-BML00331
RECORD_TITLE: 2'-Hydroxy-a-naphthoflavone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 1.322
CH$NAME: 2'-Hydroxy-a-naphthoflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H12O3
CH$EXACT_MASS: 288.078644
CH$SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4O
CH$IUPAC: InChI=1S/C19H12O3/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11,20H
CH$LINK: CHEMSPIDER
589037
CH$LINK: PUBCHEM
CID:676302
CH$LINK: INCHIKEY
ZKMLQDNHMSFULN-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.665
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 115
MS$FOCUSED_ION: PRECURSOR_M/Z 289.0859
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014l-0910000000-d16a9126f198792a325a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
101.0326 38 49
101.0405 60 78
115.0536 773 999
115.0785 23 30
119.0497 36 47
127.0541 101 131
143.046 496 641
145.0231 42 54
171.0427 430 556
171.077 24 31
190.0717 20 26
214.077 29 37
215.082 156 202
232.0897 29 37
261.0952 25 32
//